7KKO
Structure of the catalytic domain of tankyrase 1 in complex with olaparib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 98 |
| Detector technology | PIXEL |
| Collection date | 2018-11-08 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.290, 90.410, 199.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.120 - 1.560 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rf5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.120 | 1.653 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Number of reflections | 81880 | 4094 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 88.6 | |
| Redundancy | 5.9 | |
| CC(1/2) | 0.996 | 0.453 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | Salt: 0.4 M potassium acetate Precipitant: 22.0 %w/v PEG 4000 Buffer: 0.1 M MES (pH 6.14) |
